2-(4-chlorophenyl)-4-pyrrolidin-1-ylquinazoline

C18H16ClN3 — CID 715624

IUPAC2-(4-chlorophenyl)-4-pyrrolidin-1-ylquinazoline
SMILESClc1ccc(-c2nc(N3CCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C18H16ClN3/c19-14-9-7-13(8-10-14)17-20-16-6-2-1-5-15(16)18(21-17)22-11-3-4-12-22/h1-2,5-10H,3-4,11-12H2
InChIKeyMHWZHZPBTWALSB-UHFFFAOYSA-N
MW309.80 g/mol
LogP4.55
Rot. Bonds2

About 2-(4-chlorophenyl)-4-pyrrolidin-1-ylquinazoline

2-(4-chlorophenyl)-4-pyrrolidin-1-ylquinazoline (PubChem CID 715624) has the molecular formula C18H16ClN3 and a molecular weight of 309.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-pyrrolidin-1-ylquinazoline.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-pyrrolidin-1-ylquinazoline
PubChem CID715624
Molecular FormulaC18H16ClN3
Molecular Weight309.80 g/mol
Exact Mass309.10
IUPAC Name2-(4-chlorophenyl)-4-pyrrolidin-1-ylquinazoline
SMILESClc1ccc(-c2nc(N3CCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C18H16ClN3/c19-14-9-7-13(8-10-14)17-20-16-6-2-1-5-15(16)18(21-17)22-11-3-4-12-22/h1-2,5-10H,3-4,11-12H2
InChIKeyMHWZHZPBTWALSB-UHFFFAOYSA-N
XLogP4.55
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)-4-pyrrolidin-1-ylquinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-pyrrolidin-1-ylquinazoline?
The IUPAC name of 2-(4-chlorophenyl)-4-pyrrolidin-1-ylquinazoline (CID 715624) is 2-(4-chlorophenyl)-4-pyrrolidin-1-ylquinazoline.
What is the SMILES notation for 2-(4-chlorophenyl)-4-pyrrolidin-1-ylquinazoline?
The canonical SMILES for 2-(4-chlorophenyl)-4-pyrrolidin-1-ylquinazoline is Clc1ccc(-c2nc(N3CCCC3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-pyrrolidin-1-ylquinazoline?
The InChIKey is MHWZHZPBTWALSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3/c19-14-9-7-13(8-10-14)17-20-16-6-2-1-5-15(16)18(21-17)22-11-3-4-12-22/h1-2,5-10H,3-4,11-12H2.
What are the key properties of 2-(4-chlorophenyl)-4-pyrrolidin-1-ylquinazoline?
2-(4-chlorophenyl)-4-pyrrolidin-1-ylquinazoline has a molecular weight of 309.80 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-pyrrolidin-1-ylquinazoline is sourced from PubChem (CID 715624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).